Atomistry » Magnesium » PDB 6ki8-6kql » 6ko0
Atomistry »
  Magnesium »
    PDB 6ki8-6kql »
      6ko0 »

Magnesium in PDB 6ko0: The Crystal Structue of PDE10A Complexed with 1I

Enzymatic activity of The Crystal Structue of PDE10A Complexed with 1I

All present enzymatic activity of The Crystal Structue of PDE10A Complexed with 1I:
3.1.4.17; 3.1.4.35;

Protein crystallography data

The structure of The Crystal Structue of PDE10A Complexed with 1I, PDB code: 6ko0 was solved by Y.-Y.Huang, Y.F.Yu, C.Zhang, L.Guo, D.Wu, H.-B.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.78 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.213, 81.535, 161.375, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 32.7

Other elements in 6ko0:

The structure of The Crystal Structue of PDE10A Complexed with 1I also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Crystal Structue of PDE10A Complexed with 1I (pdb code 6ko0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Crystal Structue of PDE10A Complexed with 1I, PDB code: 6ko0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6ko0

Go back to Magnesium Binding Sites List in 6ko0
Magnesium binding site 1 out of 2 in the The Crystal Structue of PDE10A Complexed with 1I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structue of PDE10A Complexed with 1I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg803

b:17.2
occ:1.00
O A:HOH919 2.0 17.3 1.0
OD1 A:ASP564 2.3 18.2 1.0
O A:HOH908 2.7 14.7 1.0
O A:HOH905 3.0 17.2 1.0
CG A:ASP564 3.1 19.9 1.0
OD2 A:ASP564 3.1 20.6 1.0
ZN A:ZN802 3.4 42.1 1.0
CD2 A:HIS525 3.5 18.8 1.0
NE2 A:HIS525 3.6 19.6 1.0
NE2 A:HIS567 3.7 16.9 1.0
CD2 A:HIS567 3.8 21.2 1.0
OE2 A:GLU592 4.0 29.8 1.0
NE2 A:HIS595 4.4 20.8 1.0
CB A:ASP564 4.5 16.9 1.0
O A:HOH934 4.6 19.1 1.0
CG A:HIS525 4.8 20.6 1.0
CD2 A:HIS563 4.8 15.5 1.0
O A:THR633 4.8 25.7 1.0
O A:HIS563 4.9 19.4 1.0
CE1 A:HIS525 4.9 18.3 1.0
CD2 A:HIS595 4.9 16.5 1.0
CE1 A:HIS567 5.0 19.8 1.0
OG1 A:THR633 5.0 16.1 1.0
OD2 A:ASP674 5.0 23.0 1.0

Magnesium binding site 2 out of 2 in 6ko0

Go back to Magnesium Binding Sites List in 6ko0
Magnesium binding site 2 out of 2 in the The Crystal Structue of PDE10A Complexed with 1I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structue of PDE10A Complexed with 1I within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg803

b:24.4
occ:1.00
O B:HOH934 2.1 25.0 1.0
O B:HOH946 2.1 17.9 1.0
O B:HOH958 2.1 16.1 1.0
O B:HOH926 2.2 16.3 1.0
OD1 B:ASP564 2.3 25.6 1.0
CG B:ASP564 3.3 26.7 1.0
OG1 B:THR633 3.5 20.6 1.0
O B:HIS563 3.6 24.9 1.0
OD2 B:ASP564 3.7 24.1 1.0
OE2 B:GLU592 3.8 17.5 1.0
NE2 B:HIS595 3.9 22.0 1.0
CD2 B:HIS595 3.9 25.2 1.0
ZN B:ZN802 3.9 37.3 1.0
CD2 B:HIS563 3.9 19.8 1.0
CB B:THR633 4.3 17.8 1.0
NE2 B:HIS563 4.4 21.0 1.0
O B:THR633 4.4 21.5 1.0
CG B:GLU592 4.4 24.6 1.0
CD2 B:HIS567 4.5 24.1 1.0
CD B:GLU592 4.6 21.4 1.0
CB B:ASP564 4.6 24.1 1.0
C B:HIS563 4.7 27.9 1.0
CD2 B:HIS525 4.8 22.0 1.0
NE2 B:HIS567 4.8 22.6 1.0
OD2 B:ASP674 4.8 19.0 1.0
CA B:ASP564 4.8 24.3 1.0
C B:THR633 4.9 23.4 1.0
NE2 B:HIS525 4.9 27.1 1.0
CG B:HIS563 5.0 22.5 1.0

Reference:

Y.F.Yu, C.Zhang, Y.Y.Huang, S.Zhang, Q.Zhou, X.Li, Z.Lai, Z.Li, Y.Gao, Y.Wu, L.Guo, D.Wu, H.B.Luo. Discovery and Optimization of Chromone Derivatives As Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci 2020.
ISSN: ESSN 1948-7193
PubMed: 32105440
DOI: 10.1021/ACSCHEMNEURO.0C00024
Page generated: Tue Oct 1 07:17:59 2024

Last articles

Mg in 4M1K
Mg in 4M0N
Mg in 4LZW
Mg in 4M0A
Mg in 4M04
Mg in 4LYX
Mg in 4LZ3
Mg in 4LZC
Mg in 4LZ2
Mg in 4LZ0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy